3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid

C11H22N2O2 — CID 115250234

IUPAC3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid
SMILESCC(C)C(CNC1CCN(C)C1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-8(2)10(11(14)15)6-12-9-4-5-13(3)7-9/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyDNTFABAOEDGRDJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.64
Rot. Bonds5

About 3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid

3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid (PubChem CID 115250234) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid
PubChem CID115250234
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid
SMILESCC(C)C(CNC1CCN(C)C1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-8(2)10(11(14)15)6-12-9-4-5-13(3)7-9/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyDNTFABAOEDGRDJ-UHFFFAOYSA-N
XLogP0.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]butanoic acid
CID 115250232
3-methyl-2-[[(1-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65219948
N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252723
3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115219774
2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid
CID 79390901
methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate
CID 115123524
2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 61462383
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
2-cyclopropyl-2-[(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65059922
3-methyl-2-[[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]methyl]butanoic acid
CID 79165647
4-[[(1-methylpyrrolidin-3-yl)amino]methyl]benzoic acid
CID 55049267
3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115122911

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid (CID 115250234) is 3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid is CC(C)C(CNC1CCN(C)C1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid?
The InChIKey is DNTFABAOEDGRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10(11(14)15)6-12-9-4-5-13(3)7-9/h8-10,12H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid?
3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid is sourced from PubChem (CID 115250234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).